MetaboLab--advanced NMR data processing and analysis for metabolomics.

ABSTRACT:

Background

Despite wide-spread use of Nuclear Magnetic Resonance (NMR) in metabolomics for the analysis of biological samples there is a lack of graphically driven, publicly available software to process large one and two-dimensional NMR data sets for statistical analysis.

Results

Here we present MetaboLab, a MATLAB based software package that facilitates NMR data processing by providing automated algorithms for processing series of spectra in a reproducible fashion. A graphical user interface provides easy access to all steps of data processing via a script builder to generate MATLAB scripts, providing an option to alter code manually. The analysis of two-dimensional spectra (¹H,¹³C-HSQC spectra) is facilitated by the use of a spectral library derived from publicly availabl

SUBMITTER: Ludwig C 

PROVIDER: S-EPMC3179975 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature